3-[5-(4-methoxy-3-sulfonato-phenyl)-1,3-oxazol-2-yl]propanoate

Systemtic Name: 3-[5-(4-methoxy-3-sulfonato-phenyl)-1,3-oxazol-2-yl]propanoate Openeye Name: 3-[5-(4-methoxy-3-sulfonato-phenyl)oxazol-2-yl]propanoate CAS Name: 3-[5-(4-methoxy-3-sulfonatophenyl)-2-oxazolyl]propanoate IUPAC Name: 3-[5-(4-methoxy-3-sulfonatophenyl)-1,3-oxazol-2-yl]propanoate Traditional Name: 3-[5-(4-methoxy-3-sulfonato-phenyl)oxazol-2-yl]propionate Formula: C13H11NO7S-2 MolecularWeight: 325.29394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C13H13NO7S/c1-20-9-3-2-8(6-11(9)22(17,18)19)10-7-14-12(21-10)4-5-13(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18,19)/p-2